2-acetamido-2-(4-fluorophenyl)acetic acid

C10H10FNO3 — CID 15285025

IUPAC2-acetamido-2-(4-fluorophenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,12,13)(H,14,15)
InChIKeyHZTADRWBVNKKSJ-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.09
Rot. Bonds3

About 2-acetamido-2-(4-fluorophenyl)acetic acid

2-acetamido-2-(4-fluorophenyl)acetic acid (PubChem CID 15285025) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-acetamido-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(4-fluorophenyl)acetic acid
PubChem CID15285025
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-acetamido-2-(4-fluorophenyl)acetic acid
SMILESCC(=O)NC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,12,13)(H,14,15)
InChIKeyHZTADRWBVNKKSJ-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-acetamido-2-(4-fluorophenyl)acetic acid (CID 15285025) is 2-acetamido-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-acetamido-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-acetamido-2-(4-fluorophenyl)acetic acid is CC(=O)NC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-acetamido-2-(4-fluorophenyl)acetic acid?
The InChIKey is HZTADRWBVNKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-2-(4-fluorophenyl)acetic acid?
2-acetamido-2-(4-fluorophenyl)acetic acid has a molecular weight of 211.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 15285025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).